「view this page in B3 βῆτα server」

Revisions №60133

branch: master 「№60133」
Commited by: Vikram K. Mulligan
GitHub commit link: 「81cc7bec2c4ccbd9」 「№3086」
Difference from previous tested commit:  code diff
Commit date: 2018-03-31 17:50:42

Merge pull request #3086 from RosettaCommons/vmullig/fix_betanov16_metals_issue Fix issue with beta_nov16 scorefunction and -auto_setup_metals This pull request addresses issue #3066. The problem is that when -auto_setup_metals strips off a proton from a residue that coordinates a metal, the hydroxyl torsional potential chokes because it expects that proton to be there. This adds a simple check that all the relevant atoms are, indeed, present. Bug found independently by @senord25 and @aroy10. Tasks: - [x] Fix the bug. - [x] Unit test. - [x] Beauty.

...